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3-(1,3-benzodioxol-5-yl)-3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-{(2S)-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propan-2-yl}propanami

Catalog ID
STL561965
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)N[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C42H47N3O10 MW 753.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H47N3O10/c1-24-8-6-11-30(46)10-5-3-4-9-28-17-33(47)39(40(50)38(28)42(52)55-24)31(27-14-15-34-35(18-27)54-23-53-34)19-36(48)43-25(2)41(51)44-20-26-16-29(22-44)32-12-7-13-37(49)45(32)21-26/h4,7,9,12-15,17-18,24-26,29,31,47,50H,3,5-6,8,10-11,16,1
InChIKey
DPIOAUFDAWGCCR-RAGRGCLFSA-N
Synonyms

145705318
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N((2S)1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propan2yl)propanami
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N((2S)1oxo1((1S9R)6oxo711diazatricyclo(731027)trideca24dien11yl)propan2yl)propanamide
InChI=1SC42H47N3O10c124861130(46)105349281733(47)39(40(50)38(28)42(52)5524)31(2714153435(1827)54235334)1936(48)4325(2)41(51)4420261629(2244)321271337(49)45(32)2126h47912151718242629314750H35681011161923H212H3(H4348)b94+t242526+2931?m0s1
MFCD32651023
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)N(C@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C
RIDO(12A)(15)DIAZOCIN3(4H)YL)PROPAN2YL)PROPANAMI
ZINC001848443288
ZINC001848443289

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Available files

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